ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01121
Compound Nameisochaihulactone
Chemical ClassLignans
Molecular Weight398.412
logP3.241
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability4605.305
logSwat-2.388
Number of Primary Metabolites5
Polar Surface Area79.328
Rotatable Bonds7
logKhsa-0.233
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.651
Blood Brain Barrier (logBB)-0.140
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00475
TaxKB   -
Structure Download

 






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